methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate

C21H25NO5 — CID 10915658

IUPACmethyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate
SMILESC=C[C@@H]1CCC[C@H]1[C@@H](C(=O)OC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H25NO5/c1-3-15-10-7-11-17(15)18(20(24)26-2)19(23)22-16(13-27-21(22)25)12-14-8-5-4-6-9-14/h3-6,8-9,15-18H,1,7,10-13H2,2H3/t15-,16+,17-,18-/m1/s1
InChIKeyXYBLOXSXASLUOS-XMTFNYHQSA-N
MW371.43 g/mol
LogP2.97
Rot. Bonds6

About methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate

methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate (PubChem CID 10915658) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate
PubChem CID10915658
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namemethyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate
SMILESC=C[C@@H]1CCC[C@H]1[C@@H](C(=O)OC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H25NO5/c1-3-15-10-7-11-17(15)18(20(24)26-2)19(23)22-16(13-27-21(22)25)12-14-8-5-4-6-9-14/h3-6,8-9,15-18H,1,7,10-13H2,2H3/t15-,16+,17-,18-/m1/s1
InChIKeyXYBLOXSXASLUOS-XMTFNYHQSA-N
XLogP2.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
Ethyl 2-oxo-4-phenyl-1-(2-propylpentanoyl)pyrrolidine-3-carboxylate
CID 3071507
(4R)-3-[(2R,3R,4S,6S)-7-azido-3,4-dimethoxy-2,6-dimethylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 137658403
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(4R)-3-[6-(3-methylphenyl)hexanoyl]-4-(2-oxopropyl)-1,3-oxazolidin-2-one
CID 132155627
(4R)-3-[6-(4-methylphenyl)hexanoyl]-4-(2-oxopropyl)-1,3-oxazolidin-2-one
CID 132155628
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
N-(1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine N-carboxyanhydride
CID 9922512
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413324
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate?
The IUPAC name of methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate (CID 10915658) is methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate.
What is the SMILES notation for methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate?
The canonical SMILES for methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate is C=C[C@@H]1CCC[C@H]1[C@@H](C(=O)OC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate?
The InChIKey is XYBLOXSXASLUOS-XMTFNYHQSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-15-10-7-11-17(15)18(20(24)26-2)19(23)22-16(13-27-21(22)25)12-14-8-5-4-6-9-14/h3-6,8-9,15-18H,1,7,10-13H2,2H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate?
methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate has a molecular weight of 371.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxopropanoate is sourced from PubChem (CID 10915658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).